Tackling research questions at the absolute forefront – the impact of the Dynamics theme
“The Dynamics theme made it possible for research groups to focus on research questions that are much bigger than one researcher can tackle alone”, say theme leader, Professor Marie Skepö, and founding LINXS Director, Professor Peter Schurtenberger.
The Dynamics theme was one of the two first themes to form at LINXS back in 2017. As its activities are coming to an end, Peter Schurtenberger, and Marie Skepö reflect on some of the main achievements, and the importance of LINXS as a strong incubator for neutron and X-ray science.
Antibodies, XPCS, Simulation, theory, and software development
Professor Peter Schurtenberger
The creation of the Antibodies in solution research programme within the working group “Dynamics and Structure of Biological Macromolecules” is a major milestone for the Dynamics theme. The idea for the programme grew out of an early workshop on dynamics of biological macromolecules. A need to secure sufficient amounts of well-defined antibodies was identified – in order to perform research that covers relevant length and time scales to understand the physical properties of individual antibodies as well as those of concentrated solutions. Today, the research programme gathers 14 international research groups, with four groups from Lund University, as well as a pharmaceutical company and the American National Institute of Standards and Technology (NIST).
– Without LINXS as an incubator, the programme would not have been successful. We needed an independent broker that could gather us researchers under common goals, and to help us sustain the effort. For me, this is a prime example of what can be achieved if you have genuine support for a bottom-up approach, says Peter Schurtenberger, professor in Physical Chemistry at Lund University.
Professor Marie Skepö
Marie Skepö, professor in Theoretical Chemistry at Lund University, adds that other significant achievements include the take-off of the research programme on Simulation, theory, and software development for anisotropic systems, where researchers came together to share ideas and advance the methodological toolbox for analysing, understanding, and predicting experiments with X-rays and neutrons. This programme has now merged into the Antibodies programme’s efforts. Researchers from the Dynamics theme have also been involved in other LINXS initiatives such as the Northern Lights on Food theme.
Another example is the outcomes from the working group on Characterizing soft matter with X-ray Photon Correlation Spectroscopy (XPCS). Based on the group’s work, in 2020, funding was granted for a large-scale international research project, Dynamics of proteins in crowded environments on multiple length and time scales, in the frame of a so-called Röntgen-Ångström Cluster, led by Professor Christian Gutt from the University of Siegen in Germany and Peter Schurtenberger. Another side-effect is that it has helped to boost the corresponding interests and activities at MAX IV, which has now also led to a successful application to VR for a new detector more suitable for using the technique.
– The knock-on effects of our initial work are great, because XPCS is different to other comparable techniques since you can measure motion of nanoparticles on small length scales. In the case of proteins, the distances you can measure actually correspond to the size of the protein, and how it moves until it encounters a neighboring protein. XPCS is therefore the only technique that can currently reveal slow motion of proteins in highly concentrated solutions on these length scales, says Peter Schurtenberger.
Impacts that will last long beyond the theme
The research programme on utilizing the Grazing-Incidence Small-Angle Neutron Scattering (GISANS) technique that started within the “Dynamics and Structure of Membranes and their Constituents” working group is another example of long-term impact. It has been instrumental in creating a concerted national effort for the design and construction of a GISANS instrument that could provide unique knowledge of surface layers for potential use in a large variety of areas such as developing new medicines, packaging, batteries and other applications. The Swedish Research Council VR has now granted funding for a feasibility study for such an instrument at ESS.
At its chore, the Dynamics theme - and its legacy- is about the people. Both the many researchers involved, as well as the inspiring guest researchers who have been connected to the theme over the years, say Marie and Peter.
– Our theme has paved the ground for setting up new constellations of people and focused on research questions that are much bigger than one researcher can tackle alone. By combining different experimental and theoretical techniques and backgrounds of the people involved, we become stronger. Now, theoreticians and experimentalists work together with research questions at the absolute forefront, both regarding scientific questions as such, as well as method development, says Marie Skepö.
Peter Schurtenberger adds that the combination of people with different backgrounds has served the antibodies programme well. It was essential in creating a strong research consortium and plan that finally convinced NIST to provide the programme with their well-defined antibody, successfully ending an effort of more than two years to secure the required large quantities of material that was initially identified as the most important obstacle by the community. Since the programme will continue its work under the newly accepted LINXS theme: Integrative Pharmacology and Drug Design (IPDD) which will start in 2022, the expertise built up during the Dynamics theme will continue to feed into new LINXS initiatives, and by extension help to further develop X-ray and neutron science.
– The legacy of our theme, which can be seen on a local, national, and international level, in terms of the many important collaborations we have managed to establish, will only continue to grow as the years pass, says Peter Schurtenberger.
How can LINXS support future themes?
Both Peter and Marie are in strong agreement that LINXS should continue to be a place that can offer researchers an interdisciplinary environment free from the pressures of grant writing and funding expectations – as a way to enable themes and science to grow.
– Researchers are busy and they always have a lot on their agenda. Therefore, it is important that LINXS continues to offer a relaxed environment without demands, where researchers can meet and discuss interesting problems. The drive for researchers in general is curiosity, and LINXS should be a place where they can meet and discuss freely, without being busy thinking: When is my next meeting? says Marie Skepö.
Peter Schurtenberger adds:
– There is already so much steering of research on a political level. Great ideas come out of free research, and for that reason, I believe that the best way LINXS can support researchers is by maintaining a bottom-up approach, where themes are formed based on a genuine interest. That is also why some of our theme’s early endeavours failed, because they were not based on what the scientists were actually curious about.
Apart from a free and open environment, Peter adds that LINXS should continue with the current support structures.
– LINXS offers an infrastructure for new concerted efforts. And this is important, because funding is not everything. LINXS has helped to push themes and should continue to find out what researchers need beyond funding. You need this willingness on behalf of the organisation to help. Things like administrative and technical support, catering and help to organise workshops cannot be underestimated, says Peter Schurtenberger.
In the future, Marie and Peter believe that digital efforts need to be further developed, both for the climate, and for the potential they represent for LINXS to expand to new audiences.
– A message that I would like to pass forward to new themes, is that the possibility to reach out has increased a lot with digital meetings, and in the future, I foresee that a combination of in person meetings and digital meetings is very good. In that way, LINXS becomes inclusive and open to everyone that is interested, says Marie Skepö.
– Yes, we need to act responsibly in terms of our climate, and here LINXS could possibly create an important profile as an institute that really pushes both digital and hybrid ways of working, Peter Schurtenberger concludes.